N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide

C22H23FN4O — CID 109348071

IUPACN-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-12-20(26-14-25-19)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyXMWDXHBPQFMBPI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.78
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348071) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348071
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-12-20(26-14-25-19)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyXMWDXHBPQFMBPI-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348193
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109348071) is N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(NCc2ccccc2F)ncn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is XMWDXHBPQFMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-12-20(26-14-25-19)24-13-15-8-4-6-10-17(15)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).